Basic information
- CAS
110458-86-1- Standard SMILES
CC(=O)OCC1CC2CC1(C(C)C)C(C)C2C- InChIKey
FOMATACSWQXYTE-UHFFFAOYSA-N- Molecular formula
- C15H26O2
- Average molar mass
- 238.37 g/mol
- Monoisotopic mass
- 238.19328007
Names & identifiers
- Preferred name
- Bicyclo[2.2.1]heptane-2-methanol, 5,6-dimethyl-1-(1-methylethyl)-, 2-acetate
- IUPAC
- (5,6-dimethyl-1-propan-2-yl-2-bicyclo[2.2.1]heptanyl)methyl acetate
Names & synonyms
110458-86-1Bicyclo(2.2.1)heptane-2-methanol, 5,6-dimethyl-1-(1-methylethyl)-, acetateDTXSID60888841Bicyclo(2.2.1)heptane-2-methanol, 5,6-dimethyl-1-(1-methylethyl)-, 2-acetateBicyclo[2.2.1]heptane-2-methanol, 5,6-dimethyl-1-(1-methylethyl)-, acetateBicyclo[2.2.1]heptane-2-methanol, 5,6-dimethyl-1-(1-methylethyl)-, 2-acetateRefChem:119695DTXCID101028113FOMATACSWQXYTE-UHFFFAOYSA-N[5,6-dimethyl-1-(propan-2-yl)bicyclo[2.2.1]heptan-2-yl]methyl acetate
Database identifiers
- CAS
110458-86-1- PubChem CID
- 86115
- DTXSID
DTXSID60888841- Nikkaji
- J1.556.768F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBicyclo[2.2.1]heptane-2-methanol, 5,6-dimethyl-1-(1-methylethyl)-, 2-acetate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…